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Chemical ID: 7142719
Chemical ID:
7142719
Name [?]:
3-butyl-2-butylimino-5-[(2,4-dichlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(cc2Cl)Cl)S1)CCCC
InChi [?]:
InChI=1/C18H22Cl2N2OS/c1-3-5-9-21-18-22(10-6-4-2)17(23)16(24-18)11-13-7-8-14(19)12-15(13)20/h7-8,11-12H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,22,13,14,4,21,11,16,12,15,17,10,8,6,19,18,5,7,9,20/rA:24nCCCCNCNCOCCCCCCCCClClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;s6s10;s7;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22Cl2N2OS |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.8949 |
Area: | 624.48 |
Solvation: | -1.71715 |
Coulombic: | -27.4476 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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